441D
HIGH RESOLUTION A-DNA CRYSTAL STRYCTURES OF D(AGGGGCCCCT): AN A-DNA MODEL OF POLY(DG).POLY(DC)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 123 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-12-15 |
| Detector | RIGAKU RAXIS |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 32.765, 32.765, 77.754 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 6.000 - 1.500 |
| R-factor | 0.236 |
| Rwork | 0.236 |
| R-free | 0.31500 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.220 |
| Data reduction software | bioteX |
| Data scaling software | bioteX |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.560 |
| High resolution limit [Å] | 1.500 | 1.490 |
| Rmerge | 0.065 | 0.334 |
| Number of reflections | 4385 | |
| Completeness [%] | 97.4 | 96.5 |
| Redundancy | 6.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | 298 | pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SODIUM CACODYLATE | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | MGCL2 | ||
| 4 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | DNA duplex | 0.63 (mM) | ||
| 2 | 1 | sodium cacodylate | 50 (mM) | ||
| 3 | 1 | MPD | 7.5 (%) | ||
| 5 | 1 | 1 | 25 (mM) | can be replaced by 10mM [Co(NH3)6]3+ |
